MassBank Record: PN000060

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Luteolin 7-O-glucoside; ESI-TOF; MS2; CE:15 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PN000060
RECORD_TITLE: Luteolin 7-O-glucoside; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.18
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: Glucoluteolin
CH$NAME: Luteoloside
CH$NAME: luteolin-7-O-glucoside
CH$NAME: 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone
CH$NAME: Cynaroside
CH$NAME: Luteolin 7-O-glucoside
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C21H20O11
CH$EXACT_MASS: 448.1005614599999944402952678501605987548828125
CH$SMILES: OCC4OC(OC1=CC(O)=C2C(=O)C=C(OC2(=C1))C=3C=CC(O)=C(O)C=3)C(O)C(O)C4(O)
CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
CH$LINK: CAS 5373-11-5
CH$LINK: COMPTOX DTXSID50949617
CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N
CH$LINK: PUBCHEM CID:5280637

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.024
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 294.633

MS$FOCUSED_ION: BASE_PEAK 287.055
MS$FOCUSED_ION: PRECURSOR_M/Z 449.109
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-000i-0090000000-8f96b4ff917915ae69b2
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  287.055 999 999
  288.059 111 111
  289.062 15 15
  449.105 13 13
  450.111 3 3
//